# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2011


data_global

_journal_coden_Cambridge         222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'Duan, Chun-ying'

_publ_contact_author_name        'Duan, Chun-ying'
_publ_contact_author_email       duancy@nju.edu.cn

_publ_section_title              
;
PH-sensitive Fluorescent Sensors based
on Europium(III) Complexes
;

# Attachment '- 1.cif'

data_1
_database_code_depnum_ccdc_archive 'CCDC 795795'
#TrackingRef '- 1.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45.50 H38 Eu F6 N5 O10 S3'
_chemical_formula_weight         1176.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.456(3)
_cell_length_b                   37.587(12)
_cell_length_c                   14.754(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.040(5)
_cell_angle_gamma                90.00
_cell_volume                     5691(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       red
_exptl_crystal_colour            block
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2364
_exptl_absorpt_coefficient_mu    1.284
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7150
_exptl_absorpt_correction_T_max  0.7832
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number            30447
_diffrn_reflns_av_R_equivalents  0.0765
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.16
_diffrn_reflns_theta_max         25.00
_reflns_number_total             9908
_reflns_number_gt                7107
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0855P)^2^+23.2862P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    'riding mode'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9908
_refine_ls_number_parameters     641
_refine_ls_number_restraints     49
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0671
_refine_ls_wR_factor_ref         0.1915
_refine_ls_wR_factor_gt          0.1770
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.06538(3) 0.252078(7) 0.412123(19) 0.03048(8) Uani 1 1 d . . .
O5 O 0.2439(4) 0.24682(10) 0.3372(3) 0.0433(11) Uani 1 1 d . . .
S1 S 0.4805(2) 0.45740(5) 0.72627(19) 0.0832(8) Uani 1 1 d . . .
S3 S -0.3898(3) 0.28911(8) 0.4479(2) 0.1058(8) Uani 1 1 d U . .
S2 S 0.3761(2) 0.26730(7) 0.19357(17) 0.0835(7) Uani 1 1 d . . .
O3 O 0.1816(4) 0.29563(12) 0.5190(3) 0.0427(11) Uani 1 1 d . . .
N4 N 0.0155(5) 0.25677(13) 0.5785(3) 0.0368(12) Uani 1 1 d . . .
O6 O 0.1991(4) 0.20480(12) 0.4822(3) 0.0464(11) Uani 1 1 d . . .
O4 O -0.0290(4) 0.21321(11) 0.2931(3) 0.0378(10) Uani 1 1 d . . .
O7 O 0.0598(4) 0.30161(12) 0.3124(3) 0.0446(11) Uani 1 1 d . . .
C28 C -0.1493(6) 0.18483(15) 0.3944(4) 0.0338(14) Uani 1 1 d . . .
F3 F 0.4079(5) 0.13222(12) 0.4830(4) 0.0859(15) Uani 1 1 d . . .
N3 N 0.0717(5) 0.28401(13) 0.6325(3) 0.0354(12) Uani 1 1 d . . .
H47 H 0.0540 0.2883 0.6860 0.042 Uiso 1 1 calc R . .
C41 C -0.1893(7) 0.3112(2) 0.3710(5) 0.0535(16) Uani 1 1 d U . .
C24 C -0.2925(7) 0.13496(19) 0.3385(5) 0.056(2) Uani 1 1 d . . .
H24 H -0.3517 0.1176 0.3482 0.067 Uiso 1 1 calc R . .
N5 N -0.0947(4) 0.20867(13) 0.4584(3) 0.0348(12) Uani 1 1 d . . .
C32 C 0.5514(5) 0.21468(14) 0.2616(3) 0.0244(11) Uani 1 1 d U . .
H32 H 0.5953 0.1961 0.2959 0.029 Uiso 1 1 calc R . .
F2 F 0.3611(7) 0.15784(13) 0.6029(3) 0.111(2) Uani 1 1 d . . .
F1 F 0.2158(5) 0.13313(12) 0.5050(4) 0.0871(16) Uani 1 1 d . . .
C36 C 0.2932(6) 0.18791(16) 0.4597(4) 0.0380(15) Uani 1 1 d . . .
C19 C 0.1565(6) 0.30358(16) 0.5964(4) 0.0353(14) Uani 1 1 d . . .
C17 C 0.3155(7) 0.35240(17) 0.6113(5) 0.0500(18) Uani 1 1 d . . .
H17 H 0.3420 0.3427 0.5599 0.060 Uiso 1 1 calc R . .
C34 C 0.3399(6) 0.22652(16) 0.3373(4) 0.0366(14) Uani 1 1 d . . .
C35 C 0.3682(6) 0.19650(16) 0.3961(4) 0.0415(15) Uani 1 1 d . . .
H35 H 0.4395 0.1823 0.3913 0.050 Uiso 1 1 calc R . .
C15 C 0.1804(7) 0.35010(18) 0.7233(4) 0.0488(17) Uani 1 1 d . . .
H15 H 0.1160 0.3391 0.7488 0.059 Uiso 1 1 calc R . .
C27 C -0.1125(6) 0.18793(15) 0.3048(4) 0.0366(14) Uani 1 1 d . . .
C22 C -0.2720(6) 0.15940(18) 0.5004(5) 0.0483(17) Uani 1 1 d . . .
H22 H -0.3309 0.1429 0.5154 0.058 Uiso 1 1 calc R . .
C16 C 0.2160(6) 0.33579(15) 0.6460(4) 0.0352(14) Uani 1 1 d . . .
C20 C -0.0678(6) 0.23582(18) 0.6058(4) 0.0405(15) Uani 1 1 d . . .
H20 H -0.0879 0.2381 0.6642 0.049 Uiso 1 1 calc R . .
C29 C -0.1287(6) 0.20863(16) 0.5416(4) 0.0363(14) Uani 1 1 d . . .
O8 O -0.1373(4) 0.28286(13) 0.4033(3) 0.0472(12) Uani 1 1 d . . .
C33 C 0.4217(6) 0.23431(18) 0.2687(4) 0.0410(15) Uani 1 1 d . . .
C26 C -0.1692(7) 0.16383(19) 0.2366(5) 0.0490(18) Uani 1 1 d . . .
H26 H -0.1482 0.1650 0.1782 0.059 Uiso 1 1 calc R . .
C39 C -0.0083(7) 0.32929(17) 0.2978(4) 0.0443(16) Uani 1 1 d . . .
C23 C -0.2387(6) 0.15837(18) 0.4112(5) 0.0457(17) Uani 1 1 d . . .
C21 C -0.2191(6) 0.18421(19) 0.5644(4) 0.0500(18) Uani 1 1 d . . .
H21 H -0.2425 0.1849 0.6220 0.060 Uiso 1 1 calc R . .
C37 C 0.3211(7) 0.1524(2) 0.5143(5) 0.0566(19) Uani 1 1 d . . .
C40 C -0.1288(7) 0.3363(2) 0.3200(5) 0.0563(18) Uani 1 1 d U . .
H40 H -0.1708 0.3576 0.3013 0.068 Uiso 1 1 calc R . .
C31 C 0.5828(8) 0.2358(3) 0.1801(6) 0.080(3) Uani 1 1 d . . .
H31 H 0.6567 0.2306 0.1562 0.096 Uiso 1 1 calc R . .
C25 C -0.2579(7) 0.1379(2) 0.2552(5) 0.057(2) Uani 1 1 d . . .
H25 H -0.2939 0.1222 0.2085 0.068 Uiso 1 1 calc R . .
F6 F 0.0963(6) 0.34542(16) 0.1757(4) 0.1213(19) Uani 1 1 d . . .
C14 C 0.2400(8) 0.38114(18) 0.7643(4) 0.0528(19) Uani 1 1 d . . .
H14 H 0.2144 0.3906 0.8163 0.063 Uiso 1 1 calc R . .
F4 F -0.0293(6) 0.38428(14) 0.2123(4) 0.1051(18) Uani 1 1 d . . .
C13 C 0.3359(8) 0.39744(18) 0.7278(5) 0.056(2) Uani 1 1 d . . .
N2 N 0.3898(8) 0.42913(16) 0.7724(5) 0.076(2) Uani 1 1 d . . .
H46 H 0.3743 0.4338 0.8263 0.091 Uiso 1 1 calc R . .
C42 C -0.3253(7) 0.3175(3) 0.3844(6) 0.0758(19) Uani 1 1 d U . .
O2 O 0.5860(6) 0.43923(16) 0.6979(6) 0.113(3) Uani 1 1 d . . .
C18 C 0.3758(7) 0.38281(19) 0.6511(6) 0.062(2) Uani 1 1 d . . .
H18 H 0.4424 0.3934 0.6270 0.074 Uiso 1 1 calc R . .
F5 F 0.1489(6) 0.37368(16) 0.3027(5) 0.122(2) Uani 1 1 d . . .
O1 O 0.5096(7) 0.48478(15) 0.7962(5) 0.111(3) Uani 1 1 d . . .
C7 C 0.2771(8) 0.49969(19) 0.6319(6) 0.061(2) Uani 1 1 d . . .
C8 C 0.2123(7) 0.5167(2) 0.5477(5) 0.056(2) Uani 1 1 d . . .
N1 N 0.0631(7) 0.5608(2) 0.4663(5) 0.077(2) Uani 1 1 d . . .
C9 C 0.2427(9) 0.5043(2) 0.4641(7) 0.077(3) Uani 1 1 d . . .
H9 H 0.1955 0.5133 0.4090 0.093 Uiso 1 1 calc R . .
C12 C 0.3809(8) 0.47573(19) 0.6271(7) 0.067(2) Uani 1 1 d . . .
C3 C 0.1162(8) 0.5427(2) 0.5478(6) 0.066(2) Uani 1 1 d . . .
C38 C 0.0519(8) 0.3586(2) 0.2462(6) 0.067(2) Uani 1 1 d . . .
C11 C 0.4096(8) 0.4664(2) 0.5427(7) 0.074(3) Uani 1 1 d . . .
H11 H 0.4784 0.4508 0.5413 0.088 Uiso 1 1 calc R . .
C30 C 0.5035(8) 0.2615(3) 0.1445(6) 0.075(2) Uani 1 1 d . . .
H30 H 0.5182 0.2753 0.0953 0.090 Uiso 1 1 calc R . .
C4 C 0.0760(11) 0.5491(3) 0.6315(7) 0.094(3) Uani 1 1 d . . .
H4 H 0.0098 0.5654 0.6335 0.113 Uiso 1 1 calc R . .
C6 C 0.2340(11) 0.5084(2) 0.7129(7) 0.089(3) Uani 1 1 d . . .
H6 H 0.2749 0.4984 0.7686 0.107 Uiso 1 1 calc R . .
C10 C 0.3390(10) 0.4794(3) 0.4597(7) 0.083(3) Uani 1 1 d . . .
H10 H 0.3559 0.4717 0.4033 0.100 Uiso 1 1 calc R . .
C43 C -0.4102(7) 0.3499(3) 0.3468(7) 0.090(2) Uani 1 1 d U . .
H43 H -0.3922 0.3697 0.3135 0.108 Uiso 1 1 calc R . .
C45 C -0.5301(9) 0.3093(3) 0.4319(8) 0.108(2) Uani 1 1 d U . .
H45 H -0.6010 0.3010 0.4552 0.130 Uiso 1 1 calc R . .
C5 C 0.1338(12) 0.5313(3) 0.7121(8) 0.111(4) Uani 1 1 d . . .
H5 H 0.1027 0.5352 0.7662 0.134 Uiso 1 1 calc R . .
C2 C -0.0619(9) 0.5788(3) 0.4654(8) 0.096(3) Uani 1 1 d . . .
H2C H -0.1210 0.5626 0.4866 0.145 Uiso 1 1 calc R . .
H2B H -0.0981 0.5863 0.4037 0.145 Uiso 1 1 calc R . .
H2A H -0.0482 0.5991 0.5054 0.145 Uiso 1 1 calc R . .
C1 C 0.1542(10) 0.5849(3) 0.4336(9) 0.120(4) Uani 1 1 d . . .
H1C H 0.2340 0.5725 0.4320 0.181 Uiso 1 1 calc R . .
H1B H 0.1717 0.6049 0.4747 0.181 Uiso 1 1 calc R . .
H1A H 0.1167 0.5931 0.3727 0.181 Uiso 1 1 calc R . .
C44 C -0.5333(10) 0.3390(4) 0.3819(9) 0.118(3) Uani 1 1 d U . .
H44 H -0.6085 0.3528 0.3687 0.141 Uiso 1 1 calc R . .
C200 C 0.766(3) 0.5501(6) 0.8295(16) 0.142(10) Uiso 0.50 1 d PD . .
O200 O 0.704(3) 0.5351(8) 0.9034(18) 0.125(9) Uiso 0.30 1 d PD A 1
O20' O 0.642(3) 0.5697(10) 0.802(3) 0.116(12) Uiso 0.20 1 d PD A 2
O4W O 0.024(5) 0.5547(15) 0.148(4) 0.193(19) Uiso 0.25 1 d P . .
O1W' O 0.2321(16) 0.4532(4) 0.9112(11) 0.113(5) Uiso 0.50 1 d P B 1
O2W O -0.377(4) 0.0541(12) 0.523(3) 0.152(14) Uiso 0.25 1 d P C 1
O1W O 0.3364(16) 0.4541(4) 0.9266(11) 0.106(5) Uiso 0.50 1 d P D 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.03229(15) 0.03369(16) 0.02893(14) 0.00023(12) 0.01458(11) -0.00266(12)
O5 0.040(2) 0.040(2) 0.056(3) 0.0122(19) 0.026(2) 0.0083(19)
S1 0.0728(14) 0.0329(9) 0.1218(19) 0.0066(11) -0.0368(13) -0.0075(10)
S3 0.0848(14) 0.1089(19) 0.143(2) -0.0399(16) 0.0712(14) -0.0267(14)
S2 0.0849(14) 0.0899(16) 0.0875(14) 0.0313(13) 0.0459(12) 0.0119(13)
O3 0.046(2) 0.048(2) 0.039(2) -0.0085(19) 0.0205(18) -0.015(2)
N4 0.041(3) 0.044(3) 0.029(2) -0.003(2) 0.016(2) -0.003(2)
O6 0.048(2) 0.055(3) 0.040(2) 0.017(2) 0.0187(19) 0.012(2)
O4 0.046(2) 0.037(2) 0.034(2) -0.0018(17) 0.0164(17) -0.0059(19)
O7 0.049(2) 0.047(3) 0.044(2) 0.0056(19) 0.0250(19) 0.006(2)
C28 0.034(3) 0.031(3) 0.037(3) 0.002(2) 0.009(2) 0.001(2)
F3 0.094(3) 0.057(3) 0.119(4) 0.035(3) 0.053(3) 0.028(2)
N3 0.044(3) 0.040(3) 0.025(2) -0.006(2) 0.0130(19) -0.012(2)
C41 0.047(3) 0.062(4) 0.057(3) 0.002(3) 0.024(3) 0.010(3)
C24 0.054(4) 0.038(4) 0.077(5) -0.011(3) 0.013(4) -0.011(3)
N5 0.033(2) 0.040(3) 0.034(2) 0.003(2) 0.014(2) -0.003(2)
C32 0.025(2) 0.032(2) 0.022(2) 0.0050(18) 0.0212(17) 0.0016(19)
F2 0.210(6) 0.062(3) 0.046(3) 0.024(2) -0.016(3) 0.011(4)
F1 0.087(3) 0.057(3) 0.124(4) 0.023(3) 0.038(3) -0.015(3)
C36 0.037(3) 0.035(3) 0.040(3) 0.008(3) 0.004(3) -0.004(3)
C19 0.036(3) 0.041(3) 0.030(3) 0.001(2) 0.009(2) 0.000(3)
C17 0.057(4) 0.036(3) 0.061(4) -0.006(3) 0.022(3) -0.005(3)
C34 0.034(3) 0.038(3) 0.042(3) -0.002(3) 0.017(2) -0.004(3)
C35 0.042(3) 0.036(3) 0.050(3) 0.003(3) 0.019(3) 0.006(3)
C15 0.064(4) 0.044(4) 0.042(3) 0.002(3) 0.019(3) -0.007(3)
C27 0.044(3) 0.026(3) 0.044(3) 0.001(2) 0.017(3) 0.002(3)
C22 0.051(4) 0.042(4) 0.056(4) 0.005(3) 0.020(3) -0.019(3)
C16 0.036(3) 0.030(3) 0.039(3) 0.001(2) 0.004(2) -0.005(3)
C20 0.049(4) 0.050(4) 0.026(3) 0.000(3) 0.016(3) -0.012(3)
C29 0.039(3) 0.040(3) 0.030(3) 0.005(3) 0.006(2) -0.003(3)
O8 0.041(2) 0.061(3) 0.044(2) 0.011(2) 0.0189(19) 0.003(2)
C33 0.032(3) 0.043(3) 0.051(4) 0.000(3) 0.016(3) 0.001(3)
C26 0.056(4) 0.052(4) 0.039(3) -0.015(3) 0.010(3) -0.006(3)
C39 0.057(4) 0.037(3) 0.044(3) 0.005(3) 0.022(3) 0.009(3)
C23 0.041(3) 0.046(4) 0.049(4) 0.004(3) 0.006(3) -0.005(3)
C21 0.053(4) 0.061(4) 0.040(3) 0.001(3) 0.021(3) -0.016(3)
C37 0.056(4) 0.051(4) 0.065(4) 0.022(4) 0.017(3) 0.014(4)
C40 0.059(4) 0.058(4) 0.058(4) 0.019(3) 0.027(3) 0.019(3)
C31 0.061(4) 0.114(7) 0.079(5) 0.039(5) 0.046(4) 0.022(5)
C25 0.056(4) 0.057(4) 0.060(4) -0.018(4) 0.018(3) -0.009(4)
F6 0.178(4) 0.091(4) 0.131(4) 0.044(3) 0.119(3) 0.025(4)
C14 0.084(5) 0.037(4) 0.035(3) -0.003(3) 0.005(3) 0.003(4)
F4 0.108(4) 0.073(3) 0.144(4) 0.063(3) 0.050(3) 0.032(3)
C13 0.065(5) 0.031(3) 0.062(4) 0.001(3) -0.012(4) -0.003(3)
N2 0.109(6) 0.038(3) 0.068(4) -0.003(3) -0.018(4) -0.007(4)
C42 0.054(3) 0.096(4) 0.089(4) -0.004(3) 0.042(3) 0.007(3)
O2 0.049(3) 0.052(3) 0.220(8) 0.009(5) -0.021(4) 0.004(3)
C18 0.052(4) 0.041(4) 0.093(6) -0.016(4) 0.018(4) -0.013(3)
F5 0.100(4) 0.095(4) 0.165(6) 0.047(4) 0.012(4) -0.043(3)
O1 0.126(5) 0.041(3) 0.133(6) 0.003(4) -0.059(4) -0.017(3)
C7 0.072(5) 0.041(4) 0.064(5) -0.001(3) 0.003(4) 0.000(4)
C8 0.054(4) 0.049(4) 0.066(5) 0.012(4) 0.011(4) -0.005(3)
N1 0.067(4) 0.081(5) 0.079(5) 0.033(4) 0.003(4) 0.004(4)
C9 0.080(6) 0.070(5) 0.082(6) 0.027(5) 0.019(5) 0.001(5)
C12 0.049(4) 0.037(4) 0.110(7) 0.002(4) 0.001(4) -0.008(3)
C3 0.056(5) 0.060(5) 0.079(5) 0.021(4) 0.003(4) 0.002(4)
C38 0.064(5) 0.059(5) 0.088(5) 0.027(4) 0.037(4) 0.012(4)
C11 0.061(5) 0.048(4) 0.113(7) 0.007(5) 0.020(5) -0.003(4)
C30 0.062(4) 0.109(6) 0.067(5) 0.029(5) 0.044(4) 0.018(5)
C4 0.108(7) 0.077(6) 0.096(7) 0.018(5) 0.017(6) 0.040(6)
C6 0.131(8) 0.061(5) 0.071(6) 0.005(4) 0.007(6) 0.030(6)
C10 0.094(6) 0.069(6) 0.095(6) -0.003(5) 0.039(5) -0.006(5)
C43 0.041(3) 0.124(5) 0.117(5) 0.013(4) 0.043(3) 0.037(4)
C45 0.059(4) 0.130(5) 0.150(5) -0.039(5) 0.055(4) -0.012(4)
C5 0.159(10) 0.094(7) 0.091(7) 0.016(6) 0.049(7) 0.052(7)
C2 0.067(6) 0.093(7) 0.116(8) 0.030(6) -0.016(5) 0.012(5)
C1 0.085(7) 0.122(8) 0.154(10) 0.071(8) 0.023(7) -0.015(7)
C44 0.058(4) 0.152(6) 0.149(6) -0.015(5) 0.038(4) 0.024(5)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O4 2.352(4) . ?
Eu1 O5 2.353(4) . ?
Eu1 O7 2.367(4) . ?
Eu1 O6 2.373(4) . ?
Eu1 O8 2.396(4) . ?
Eu1 O3 2.431(4) . ?
Eu1 N5 2.523(5) . ?
Eu1 N4 2.612(5) . ?
Eu1 C27 3.264(6) . ?
O5 C34 1.261(7) . ?
S1 O2 1.427(8) . ?
S1 O1 1.448(7) . ?
S1 N2 1.655(8) . ?
S1 C12 1.765(9) . ?
S3 C45 1.629(10) . ?
S3 C42 1.647(9) . ?
S2 C30 1.648(8) . ?
S2 C33 1.670(7) . ?
O3 C19 1.257(7) . ?
N4 C20 1.293(8) . ?
N4 N3 1.359(7) . ?
O6 C36 1.267(7) . ?
O4 C27 1.324(7) . ?
O7 C39 1.256(7) . ?
C28 N5 1.347(7) . ?
C28 C23 1.419(9) . ?
C28 C27 1.450(8) . ?
F3 C37 1.331(9) . ?
N3 C19 1.338(7) . ?
C41 O8 1.249(8) . ?
C41 C40 1.426(10) . ?
C41 C42 1.491(10) . ?
C24 C25 1.349(11) . ?
C24 C23 1.419(10) . ?
N5 C29 1.343(7) . ?
C32 C31 1.528(9) . ?
C32 C33 1.564(8) . ?
F2 C37 1.310(9) . ?
F1 C37 1.304(9) . ?
C36 C35 1.372(9) . ?
C36 C37 1.557(9) . ?
C19 C16 1.488(8) . ?
C17 C18 1.381(10) . ?
C17 C16 1.392(9) . ?
C34 C35 1.419(8) . ?
C34 C33 1.475(8) . ?
C15 C16 1.374(9) . ?
C15 C14 1.404(9) . ?
C27 C26 1.399(9) . ?
C22 C21 1.366(9) . ?
C22 C23 1.425(9) . ?
C20 C29 1.455(8) . ?
C29 C21 1.403(9) . ?
C26 C25 1.409(10) . ?
C39 C40 1.387(9) . ?
C39 C38 1.541(10) . ?
C31 C30 1.314(13) . ?
F6 C38 1.314(10) . ?
C14 C13 1.370(11) . ?
F4 C38 1.318(9) . ?
C13 C18 1.392(11) . ?
C13 N2 1.423(9) . ?
C42 C43 1.546(13) . ?
F5 C38 1.311(10) . ?
C7 C6 1.396(13) . ?
C7 C12 1.422(11) . ?
C7 C8 1.445(10) . ?
C8 C3 1.404(11) . ?
C8 C9 1.410(12) . ?
N1 C3 1.400(10) . ?
N1 C1 1.462(12) . ?
N1 C2 1.469(12) . ?
C9 C10 1.384(13) . ?
C12 C11 1.381(13) . ?
C3 C4 1.399(14) . ?
C11 C10 1.393(13) . ?
C4 C5 1.397(14) . ?
C6 C5 1.352(14) . ?
C43 C44 1.532(14) . ?
C45 C44 1.336(17) . ?
C200 O20' 1.48(3) . ?
C200 O200 1.48(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Eu1 O5 81.61(15) . . ?
O4 Eu1 O7 93.87(14) . . ?
O5 Eu1 O7 72.61(14) . . ?
O4 Eu1 O6 89.32(15) . . ?
O5 Eu1 O6 71.78(14) . . ?
O7 Eu1 O6 143.35(15) . . ?
O4 Eu1 O8 91.09(15) . . ?
O5 Eu1 O8 142.01(14) . . ?
O7 Eu1 O8 70.75(15) . . ?
O6 Eu1 O8 145.76(15) . . ?
O4 Eu1 O3 171.51(13) . . ?
O5 Eu1 O3 91.04(15) . . ?
O7 Eu1 O3 79.82(15) . . ?
O6 Eu1 O3 92.41(16) . . ?
O8 Eu1 O3 92.14(15) . . ?
O4 Eu1 N5 66.10(14) . . ?
O5 Eu1 N5 134.40(15) . . ?
O7 Eu1 N5 137.58(15) . . ?
O6 Eu1 N5 76.35(15) . . ?
O8 Eu1 N5 72.62(16) . . ?
O3 Eu1 N5 122.37(14) . . ?
O4 Eu1 N4 127.82(15) . . ?
O5 Eu1 N4 140.06(16) . . ?
O7 Eu1 N4 123.08(15) . . ?
O6 Eu1 N4 81.27(15) . . ?
O8 Eu1 N4 71.61(15) . . ?
O3 Eu1 N4 60.66(15) . . ?
N5 Eu1 N4 61.79(15) . . ?
O4 Eu1 C27 19.96(14) . . ?
O5 Eu1 C27 98.04(15) . . ?
O7 Eu1 C27 109.62(15) . . ?
O6 Eu1 C27 83.78(15) . . ?
O8 Eu1 C27 85.08(15) . . ?
O3 Eu1 C27 168.48(14) . . ?
N5 Eu1 C27 46.16(15) . . ?
N4 Eu1 C27 107.93(15) . . ?
C34 O5 Eu1 138.9(4) . . ?
O2 S1 O1 118.7(4) . . ?
O2 S1 N2 110.4(4) . . ?
O1 S1 N2 102.9(4) . . ?
O2 S1 C12 108.0(5) . . ?
O1 S1 C12 108.9(4) . . ?
N2 S1 C12 107.4(4) . . ?
C45 S3 C42 94.1(6) . . ?
C30 S2 C33 92.3(4) . . ?
C19 O3 Eu1 125.7(4) . . ?
C20 N4 N3 121.2(5) . . ?
C20 N4 Eu1 121.2(4) . . ?
N3 N4 Eu1 117.3(3) . . ?
C36 O6 Eu1 133.1(4) . . ?
C27 O4 Eu1 122.7(3) . . ?
C39 O7 Eu1 134.7(4) . . ?
N5 C28 C23 123.3(5) . . ?
N5 C28 C27 115.7(5) . . ?
C23 C28 C27 121.0(5) . . ?
C19 N3 N4 115.3(5) . . ?
O8 C41 C40 124.1(6) . . ?
O8 C41 C42 116.1(7) . . ?
C40 C41 C42 119.7(7) . . ?
C25 C24 C23 120.2(7) . . ?
C29 N5 C28 119.3(5) . . ?
C29 N5 Eu1 123.6(4) . . ?
C28 N5 Eu1 117.1(4) . . ?
C31 C32 C33 97.3(5) . . ?
O6 C36 C35 129.4(6) . . ?
O6 C36 C37 111.8(5) . . ?
C35 C36 C37 118.7(6) . . ?
O3 C19 N3 120.0(5) . . ?
O3 C19 C16 120.0(5) . . ?
N3 C19 C16 119.9(5) . . ?
C18 C17 C16 121.8(7) . . ?
O5 C34 C35 123.7(5) . . ?
O5 C34 C33 116.5(5) . . ?
C35 C34 C33 119.8(5) . . ?
C36 C35 C34 121.7(6) . . ?
C16 C15 C14 121.0(6) . . ?
O4 C27 C26 124.7(6) . . ?
O4 C27 C28 118.3(5) . . ?
C26 C27 C28 117.0(6) . . ?
O4 C27 Eu1 37.3(2) . . ?
C26 C27 Eu1 162.0(5) . . ?
C28 C27 Eu1 81.0(3) . . ?
C21 C22 C23 121.2(6) . . ?
C15 C16 C17 118.0(6) . . ?
C15 C16 C19 124.9(6) . . ?
C17 C16 C19 117.1(5) . . ?
N4 C20 C29 117.5(5) . . ?
N5 C29 C21 121.9(5) . . ?
N5 C29 C20 115.8(5) . . ?
C21 C29 C20 122.3(5) . . ?
C41 O8 Eu1 138.4(4) . . ?
C34 C33 C32 125.2(5) . . ?
C34 C33 S2 118.3(5) . . ?
C32 C33 S2 116.5(4) . . ?
C27 C26 C25 120.8(6) . . ?
O7 C39 C40 128.9(6) . . ?
O7 C39 C38 113.9(6) . . ?
C40 C39 C38 117.1(6) . . ?
C24 C23 C28 118.8(6) . . ?
C24 C23 C22 125.8(6) . . ?
C28 C23 C22 115.4(6) . . ?
C22 C21 C29 118.9(6) . . ?
F1 C37 F2 107.1(7) . . ?
F1 C37 F3 105.3(6) . . ?
F2 C37 F3 109.0(6) . . ?
F1 C37 C36 110.5(6) . . ?
F2 C37 C36 112.0(6) . . ?
F3 C37 C36 112.5(6) . . ?
C39 C40 C41 120.9(6) . . ?
C30 C31 C32 118.8(7) . . ?
C24 C25 C26 122.3(7) . . ?
C13 C14 C15 120.0(7) . . ?
C14 C13 C18 119.9(6) . . ?
C14 C13 N2 116.6(7) . . ?
C18 C13 N2 123.5(7) . . ?
C13 N2 S1 123.7(6) . . ?
C41 C42 C43 125.0(8) . . ?
C41 C42 S3 118.5(7) . . ?
C43 C42 S3 116.4(6) . . ?
C17 C18 C13 119.3(7) . . ?
C6 C7 C12 124.5(8) . . ?
C6 C7 C8 117.2(7) . . ?
C12 C7 C8 118.2(8) . . ?
C3 C8 C9 120.8(7) . . ?
C3 C8 C7 121.7(7) . . ?
C9 C8 C7 117.3(7) . . ?
C3 N1 C1 114.1(7) . . ?
C3 N1 C2 115.9(8) . . ?
C1 N1 C2 110.3(8) . . ?
C10 C9 C8 123.5(8) . . ?
C11 C12 C7 120.4(8) . . ?
C11 C12 S1 116.9(6) . . ?
C7 C12 S1 122.7(7) . . ?
C4 C3 N1 122.5(8) . . ?
C4 C3 C8 117.1(8) . . ?
N1 C3 C8 120.3(8) . . ?
F5 C38 F6 108.6(7) . . ?
F5 C38 F4 106.8(7) . . ?
F6 C38 F4 106.0(7) . . ?
F5 C38 C39 109.5(7) . . ?
F6 C38 C39 111.1(7) . . ?
F4 C38 C39 114.6(6) . . ?
C12 C11 C10 122.1(8) . . ?
C31 C30 S2 115.0(7) . . ?
C5 C4 C3 121.0(9) . . ?
C5 C6 C7 121.2(9) . . ?
C9 C10 C11 117.7(9) . . ?
C44 C43 C42 97.5(9) . . ?
C44 C45 S3 113.4(8) . . ?
C6 C5 C4 121.3(10) . . ?
C45 C44 C43 118.4(10) . . ?
O20' C200 O200 85(3) . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         1.866
_refine_diff_density_min         -2.226
_refine_diff_density_rms         0.130